SCHEMBL19634699

SCHEMBL19634699

CNCCN(CCNC)C(=O)c1ccc(CN)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 3/20 0.49
HDAC6 Q9UBN7 8/20 0.46
HDAC3 O15379 5/20 0.46
NCOR2 Q9Y618 1/20 0.46
OPRM1 P35372 1/20 0.45
OPRD1 P41143 1/20 0.45
HDAC1 Q13547 7/20 0.44
HDAC2 Q92769 3/20 0.44
HDAC7 Q8WUI4 3/20 0.44
HDAC8 Q9BY41 3/20 0.44
HDAC4 P56524 2/20 0.44
HDAC9 Q9UKV0 2/20 0.44
HDAC5 Q9UQL6 2/20 0.44
MCHR1 Q99705 1/20 0.40
MLYCD O95822 1/20 0.40
TPSAB1 Q15661 2/20 0.39
SUV39H1 O43463 1/20 0.38
PRMT1 Q99873 1/20 0.38
F10 P00742 1/20 0.38
HDAC10 Q969S8 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL23471263 0.85 OPRM1 (0.46) LOXL2HDAC6HDAC3OPRM1OPRD1
SCHEMBL19634742 0.85 LOXL2 (0.54) LOXL2OPRM1OPRD1
SCHEMBL19634683 0.80 HDAC6 (0.42) LOXL2HDAC6HDAC3NCOR2HDAC1
SCHEMBL23471262 0.80 KMT2A (0.55) HDAC6HDAC3OPRM1OPRD1HDAC1
SCHEMBL19634427 0.80 HDAC3 (0.48) LOXL2HDAC6HDAC3NCOR2HDAC1
SCHEMBL14571402 0.79 OPRM1 (0.53) HDAC6OPRM1OPRD1HDAC1MLYCD
SCHEMBL19634429 0.79 LOXL2 (0.48) LOXL2HDAC6HDAC3NCOR2HDAC1
SCHEMBL19634392 0.78 HPGD (0.58) LOXL2HDAC6HDAC3NCOR2HDAC1
SCHEMBL15347843 0.77 HPGD (0.63) HDAC6HDAC3OPRM1OPRD1HDAC1
SCHEMBL19634689 0.77 MLYCD (0.54) LOXL2HDAC6HDAC3NCOR2OPRM1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017200984-A1 NOVEL CYCLOSPORIN DERIVATIVES AND USES THEREOF S&T GLOBAL INC. (US) 2017-11-23 WO disclosed